SCHEMBL30453871

SCHEMBL30453871

C[C@@H]1CN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(F)ccc(F)c4Cl)n3)s2)C[C@H](C)N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.42
CSF1R P07333 3/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
BCL6 P41182 7/20 0.35
MAP4K3 Q8IVH8 2/20 0.34
NCOR2 Q9Y618 1/20 0.32
JAK2 O60674 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PTPN11 Q06124 1/20 0.31
LRRK2 Q5S007 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL488396 1.00 MET (0.42) METCSF1RPIK3CAMTORBCL6
SCHEMBL488731 0.86 KDM4E (0.40) METCSF1RMTOR
SCHEMBL30453950 0.86 KDM4E (0.40) METCSF1RMTOR
SCHEMBL30453714 0.85 MET (0.54) METCSF1RMAP4K3
SCHEMBL10216276 0.85 MET (0.54) METCSF1RMAP4K3
SCHEMBL488137 0.85 MET (0.54) METCSF1RMAP4K3
SCHEMBL488176 0.85 MET (0.52) METPIK3CAMTORBCL6MAP4K3
SCHEMBL10215491 0.85 MET (0.52) METPIK3CAMTORBCL6MAP4K3
SCHEMBL30452564 0.85 MET (0.52) METPIK3CAMTORBCL6MAP4K3
SCHEMBL10216291 0.83 MET (0.48) METCSF1RMAP4K3PTPN11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed